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CS-W001157 4
Total: USD 88.00

4-(Tert-butyl)-2,6-dinitrophenol

  • CAS No. 4097-49-8

  • Cat. No. CS-0327412
  • Molecule weight240.21
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

4-(Tert-butyl)-2,6-dinitrophenol|CS-0327412

Structure of 4097-49-8

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General Information

  • CAS No. 4097-49-8
  • Cat. No. CS-0327412
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₅
  • Molecular Weight 240.21
  • Synonym(s) Phenol, 4-tert-butyl-2,6-dinitro-
  • SMILES CC(C)(C)C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      98-54-4
    • ~68%
    • 4-(Tert-butyl)-2,6-dinitrophenol|CS-0327412
      4097-49-8

    References

    • Rojo, Javier; Lehn, Jean-Marie; Baum, Gerhard; Fenske, Dieter; Waldmann, Oliver; Mueller, Paul European Journal of Inorganic Chemistry, 1999 , # 3 p. 517 - 522
  • Route2

    References

    • Shi, Min; Cui, Shi-Cong; Yin, Wan-Po European Journal of Organic Chemistry, 2005 , # 11 p. 2379 - 2384
  • Route3
    • null|null
      88-18-6
    • ~%
    • 4-(Tert-butyl)-2,6-dinitrophenol|CS-0327412
      4097-49-8

    References

    • Hart Journal of the American Chemical Society, 1949 , vol. 71, p. 1966 Full Text View citing articles Show Details Dow Chem. Co. Patent: US2192197 , 1936 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   106.51
  • LogP   2.5061
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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